N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C24H36N4O2 — CID 55845816

IUPACN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NCc2ccccc2CN2CC(C)CC(C)C2)n1
InChIInChI=1S/C24H36N4O2/c1-4-8-22-26-24(30-27-22)12-7-11-23(29)25-14-20-9-5-6-10-21(20)17-28-15-18(2)13-19(3)16-28/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,25,29)
InChIKeyBRTLLGPESZBGQA-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.14
Rot. Bonds10

About N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55845816) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55845816
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NCc2ccccc2CN2CC(C)CC(C)C2)n1
InChIInChI=1S/C24H36N4O2/c1-4-8-22-26-24(30-27-22)12-7-11-23(29)25-14-20-9-5-6-10-21(20)17-28-15-18(2)13-19(3)16-28/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,25,29)
InChIKeyBRTLLGPESZBGQA-UHFFFAOYSA-N
XLogP4.14
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide
CID 55823394
N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87041751
N'-[2-(1H-indol-3-yl)acetyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 55822207
N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 100702382
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55847080
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 55830826
2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 47043225
N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51103920
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119448539

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55845816) is N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)NCc2ccccc2CN2CC(C)CC(C)C2)n1.
What is the InChIKey of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is BRTLLGPESZBGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-4-8-22-26-24(30-27-22)12-7-11-23(29)25-14-20-9-5-6-10-21(20)17-28-15-18(2)13-19(3)16-28/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,25,29).
What are the key properties of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 412.58 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55845816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).